4-(ethenoxymethyl)-4-ethyloxane

C10H18O2 — CID 176604167

IUPAC4-(ethenoxymethyl)-4-ethyloxane
SMILESC=COCC1(CC)CCOCC1
InChIInChI=1S/C10H18O2/c1-3-10(9-11-4-2)5-7-12-8-6-10/h4H,2-3,5-9H2,1H3
InChIKeyFUVMAQZYUSNGNN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 4-(ethenoxymethyl)-4-ethyloxane

4-(ethenoxymethyl)-4-ethyloxane (PubChem CID 176604167) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-4-ethyloxane.

Molecular Properties

Compound Name4-(ethenoxymethyl)-4-ethyloxane
PubChem CID176604167
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(ethenoxymethyl)-4-ethyloxane
SMILESC=COCC1(CC)CCOCC1
InChIInChI=1S/C10H18O2/c1-3-10(9-11-4-2)5-7-12-8-6-10/h4H,2-3,5-9H2,1H3
InChIKeyFUVMAQZYUSNGNN-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-4-methyloxane
CID 57602833
CID 58450260
CID 58450260
CID 58450372
CID 58450372
4-(Ethenoxymethyl)oxane
CID 66366363
4-Ethyl-4-(methoxymethyl)oxane
CID 68230378
4-(Ethenoxymethyl)-4-methyloxane
CID 68560612
4-(Ethoxymethyl)-4-methyloxane
CID 123488468
3-(2-Ethenoxyethyl)-3-ethyloxetane
CID 141483491
Ethane;4-(methoxymethyl)-4-methyloxane
CID 143251015
Ethane;4-ethyl-4-(methoxymethyl)oxane
CID 144557076
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-4-ethyloxane?
The IUPAC name of 4-(ethenoxymethyl)-4-ethyloxane (CID 176604167) is 4-(ethenoxymethyl)-4-ethyloxane.
What is the SMILES notation for 4-(ethenoxymethyl)-4-ethyloxane?
The canonical SMILES for 4-(ethenoxymethyl)-4-ethyloxane is C=COCC1(CC)CCOCC1.
What is the InChIKey of 4-(ethenoxymethyl)-4-ethyloxane?
The InChIKey is FUVMAQZYUSNGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-10(9-11-4-2)5-7-12-8-6-10/h4H,2-3,5-9H2,1H3.
What are the key properties of 4-(ethenoxymethyl)-4-ethyloxane?
4-(ethenoxymethyl)-4-ethyloxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-4-ethyloxane is sourced from PubChem (CID 176604167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).